COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.714  -0.506  -0.297  1.00  0.00           N  
HETATM    2  N   UNL     1       6.333  -1.450   0.677  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.005  -0.593   0.079  1.00  0.00           C  
HETATM    4  C   UNL     1       0.276  -1.428   0.266  1.00  0.00           C  
HETATM    5  C   UNL     1       0.276  -2.729  -0.538  1.00  0.00           C  
HETATM    6  C   UNL     1       1.312  -3.691   0.048  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.111  -3.371  -0.471  1.00  0.00           C  
HETATM    8  C   UNL     1       1.643  -0.797   0.201  1.00  0.00           C  
HETATM    9  C   UNL     1       3.048   1.420   1.753  1.00  0.00           C  
HETATM   10  C   UNL     1       0.871   2.388   1.986  1.00  0.00           C  
HETATM   11  C   UNL     1       2.571   3.546   0.762  1.00  0.00           C  
HETATM   12  C   UNL     1       7.367  -2.484   0.759  1.00  0.00           C  
HETATM   13  C   UNL     1       6.744   0.061  -1.249  1.00  0.00           C  
HETATM   14  C   UNL     1       5.408   0.529  -1.766  1.00  0.00           C  
HETATM   15  C   UNL     1       3.312   0.055  -2.822  1.00  0.00           C  
HETATM   16  C   UNL     1       3.824   2.288  -2.125  1.00  0.00           C  
HETATM   17  C   UNL     1       6.885   0.851   1.072  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.343   0.057   0.063  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.457   0.386  -0.621  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.367   0.928  -1.705  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.024   0.355  -0.500  1.00  0.00           C  
HETATM   22  C   UNL     1       3.984  -0.701   0.873  1.00  0.00           C  
HETATM   23  C   UNL     1       4.014   0.297   2.032  1.00  0.00           C  
HETATM   24  C   UNL     1       1.757   1.358   2.242  1.00  0.00           C  
HETATM   25  C   UNL     1       1.276   3.480   1.241  1.00  0.00           C  
HETATM   26  C   UNL     1       3.455   2.514   1.013  1.00  0.00           C  
HETATM   27  C   UNL     1       5.072  -1.726   1.064  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.635   1.794  -0.155  1.00  0.00           C  
HETATM   29  C   UNL     1       4.538  -0.374  -2.348  1.00  0.00           C  
HETATM   30  C   UNL     1       2.956   1.386  -2.713  1.00  0.00           C  
HETATM   31  C   UNL     1       5.050   1.859  -1.652  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.597   2.762  -0.846  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.826   0.494  -0.896  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.085   0.112  -0.162  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.647  -1.137  -0.356  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.802  -1.487   0.317  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.396  -0.589   1.184  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.834   0.658   1.379  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.676   1.007   0.710  1.00  0.00           C  
HETATM   40  C   UNL     1       0.628  -2.428  -1.996  1.00  0.00           C  
HETATM   41  N   UNL     1       2.682  -1.372   0.840  1.00  0.00           N  
HETATM   42  N   UNL     1       6.654  -0.175   0.194  1.00  0.00           N  
HETATM   43  N   UNL     1       7.181   2.029   0.626  1.00  0.00           N  
HETATM   44  O   UNL     1       4.813  -2.799   1.568  1.00  0.00           O  
HETATM   45  O   UNL     1       1.809   0.228  -0.425  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.348  -1.434   0.882  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.670   0.112  -0.104  1.00  0.00           O  
HETATM   48  H   UNL     1      -0.441   0.164  -0.942  1.00  0.00           H  
HETATM   49  H   UNL     1       0.024  -1.642   1.304  1.00  0.00           H  
HETATM   50  H   UNL     1       1.058  -3.910   1.085  1.00  0.00           H  
HETATM   51  H   UNL     1       1.316  -4.616  -0.529  1.00  0.00           H  
HETATM   52  H   UNL     1       2.300  -3.231   0.005  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.849  -2.686  -0.888  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.111  -4.298  -1.044  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.362  -3.586   0.568  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.138   2.340   2.368  1.00  0.00           H  
HETATM   57  H   UNL     1       2.890   4.401   0.184  1.00  0.00           H  
HETATM   58  H   UNL     1       7.851  -2.437   1.735  1.00  0.00           H  
HETATM   59  H   UNL     1       6.912  -3.466   0.627  1.00  0.00           H  
HETATM   60  H   UNL     1       8.109  -2.320  -0.022  1.00  0.00           H  
HETATM   61  H   UNL     1       7.024  -0.864  -1.752  1.00  0.00           H  
HETATM   62  H   UNL     1       7.497   0.824  -1.446  1.00  0.00           H  
HETATM   63  H   UNL     1       2.633  -0.650  -3.278  1.00  0.00           H  
HETATM   64  H   UNL     1       3.544   3.327  -2.036  1.00  0.00           H  
HETATM   65  H   UNL     1       6.819   0.677   2.135  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.415  -0.376   0.928  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.056   0.237  -1.583  1.00  0.00           H  
HETATM   68  H   UNL     1       4.144  -0.172  -0.066  1.00  0.00           H  
HETATM   69  H   UNL     1       5.020   0.701   2.138  1.00  0.00           H  
HETATM   70  H   UNL     1       3.727  -0.208   2.954  1.00  0.00           H  
HETATM   71  H   UNL     1       1.439   0.506   2.824  1.00  0.00           H  
HETATM   72  H   UNL     1       0.586   4.286   1.045  1.00  0.00           H  
HETATM   73  H   UNL     1       4.465   2.562   0.631  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.689   1.936   0.924  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.618   1.987  -0.496  1.00  0.00           H  
HETATM   76  H   UNL     1       4.816  -1.414  -2.434  1.00  0.00           H  
HETATM   77  H   UNL     1       1.998   1.721  -3.083  1.00  0.00           H  
HETATM   78  H   UNL     1       5.727   2.563  -1.192  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.320   3.787  -0.600  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.543   2.620  -1.926  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.614   2.569  -0.505  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.794  -0.021  -1.856  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.813   1.571  -1.060  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.183  -1.838  -1.034  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.241  -2.462   0.164  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.299  -0.863   1.709  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.298   1.360   2.057  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.235   1.981   0.865  1.00  0.00           H  
HETATM   89  H   UNL     1       1.617  -1.971  -2.045  1.00  0.00           H  
HETATM   90  H   UNL     1       0.628  -3.355  -2.569  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.109  -1.742  -2.414  1.00  0.00           H  
HETATM   92  H   UNL     1       2.567  -2.230   1.278  1.00  0.00           H  
HETATM   93  H   UNL     1       7.345   2.756   1.248  1.00  0.00           H  
CONECT    1    3    4   48                                            
CONECT    2   27   12   42                                            
CONECT    3   46   46   21    1                                       
CONECT    4    1    5    8   49                                       
CONECT    5    7    4   40    6                                       
CONECT    6    5   50   51   52                                       
CONECT    7    5   53   54   55                                       
CONECT    8    4   41   45   45                                       
CONECT    9   26   24   24   23                                       
CONECT   10   25   25   24   56                                       
CONECT   11   26   26   25   57                                       
CONECT   12    2   58   59   60                                       
CONECT   13   14   42   61   62                                       
CONECT   14   29   13   31   31                                       
CONECT   15   29   29   30   63                                       
CONECT   16   30   30   31   64                                       
CONECT   17   42   43   43   65                                       
CONECT   18   19   21   66                                            
CONECT   19   47   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   18    3   28   67                                       
CONECT   22   41   23   27   68                                       
CONECT   23    9   22   69   70                                       
CONECT   24    9    9   10   71                                       
CONECT   25   11   10   10   72                                       
CONECT   26   11   11    9   73                                       
CONECT   27   22   44   44    2                                       
CONECT   28   21   32   74   75                                       
CONECT   29   15   15   14   76                                       
CONECT   30   15   16   16   77                                       
CONECT   31   14   14   16   78                                       
CONECT   32   28   79   80   81                                       
CONECT   33   34   47   82   83                                       
CONECT   34   35   33   39   39                                       
CONECT   35   36   36   34   84                                       
CONECT   36   35   35   37   85                                       
CONECT   37   36   38   38   86                                       
CONECT   38   37   37   39   87                                       
CONECT   39   34   34   38   88                                       
CONECT   40    5   89   90   91                                       
CONECT   41    8   22   92                                            
CONECT   42    2   13   17                                            
CONECT   43   17   17   93                                            
CONECT   44   27   27                                                 
CONECT   45    8    8                                                 
CONECT   46    3    3                                                 
CONECT   47   33   19                                                 
CONECT   48    1                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   43                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
